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CAS No. : | 886362-85-2 | MDL No. : | MFCD06796618 |
Formula : | C10H7NO5 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | - |
M.W : | 221.17 | Pubchem ID : | - |
Synonyms : |
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Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302-H315-H319-H335 | Packing Group: | N/A |
GHS Pictogram: |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
In xylene for 18h; Reflux; | 231 Example 231 : 2-(3-Chlorobenzo[b1thiophene-2-carboxamido)-3-(4-chlorophenyl- carbamovDbenzoic acidMethod 22A solution of methyl 2-amino-3-carboxybenzoate in dry THF was added triphosgene (0.33 eq.) and refluxed for 5 h. After cooling to room temperature the solvent was removed under vacuum and the residue was triturated with THF-hexane to afford the corresponding cyclic anhydride as a white solid. The anhydride was dissolved in xylene and 4-chloro- aniline (1.1 eq.) was added together with a catalytic amount of DMAP. The reaction mixture was refluxed for 18 h. After cooling, ice-cold water was added and the mixture was stirred the solution for half an hour. The precipitated solid was filtered, washed with ether and dried. This was dissolved in dry THF, treated with 3-chlorobenzo[b]thiophene-2- carbonyl chloride (1.1 eq.) and refluxed for 10-12 h. The solvent was concentrated under vacuum and the residue was dissolved in 20 ml of THF and 10 ml of EtOH. 6 N NaOH (1.65 mmol) was added and the solution was stirred at room temperature for 3 h. The mixture was filtered through a Celite pad, then poured into acidic water; the precipitate was collected, washed with water and MeOH, and dried to afford the title compound, mp >250°C, in 7.3% overall yield.1 H-NMR (500 MHz, DMSO-cfe, 300°K), δ ppm: 13.55 (br.s, 1 H), 11.30 (br.s, 1 H), 10.60 (s, 1 H), 8.13 (m, 1 H), 8.12 (m, 1 H), 8.08 (m, 1 H), 7.97 (m, 1 H), 7.91 (m, 2H), 7.72 (m, 2H), 7.49 (m, 1 H), 7.35 (m, 2H); MS: m/z = 507.1 [M+Na]+ |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
In tetrahydrofuran for 5h; Reflux; | 231 Example 231 : 2-(3-Chlorobenzo[b1thiophene-2-carboxamido)-3-(4-chlorophenyl- carbamovDbenzoic acidMethod 22A solution of methyl 2-amino-3-carboxybenzoate in dry THF was added triphosgene (0.33 eq.) and refluxed for 5 h. After cooling to room temperature the solvent was removed under vacuum and the residue was triturated with THF-hexane to afford the corresponding cyclic anhydride as a white solid. The anhydride was dissolved in xylene and 4-chloro- aniline (1.1 eq.) was added together with a catalytic amount of DMAP. The reaction mixture was refluxed for 18 h. After cooling, ice-cold water was added and the mixture was stirred the solution for half an hour. The precipitated solid was filtered, washed with ether and dried. This was dissolved in dry THF, treated with 3-chlorobenzo[b]thiophene-2- carbonyl chloride (1.1 eq.) and refluxed for 10-12 h. The solvent was concentrated under vacuum and the residue was dissolved in 20 ml of THF and 10 ml of EtOH. 6 N NaOH (1.65 mmol) was added and the solution was stirred at room temperature for 3 h. The mixture was filtered through a Celite pad, then poured into acidic water; the precipitate was collected, washed with water and MeOH, and dried to afford the title compound, mp >250°C, in 7.3% overall yield.1 H-NMR (500 MHz, DMSO-cfe, 300°K), δ ppm: 13.55 (br.s, 1 H), 11.30 (br.s, 1 H), 10.60 (s, 1 H), 8.13 (m, 1 H), 8.12 (m, 1 H), 8.08 (m, 1 H), 7.97 (m, 1 H), 7.91 (m, 2H), 7.72 (m, 2H), 7.49 (m, 1 H), 7.35 (m, 2H); MS: m/z = 507.1 [M+Na]+ |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1: dmap / xylene / 18 h / Reflux 2: tetrahydrofuran / 12 h / Reflux 3: sodium hydroxide / tetrahydrofuran; ethanol / 3 h / 20 °C |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1: dmap / xylene / 18 h / Reflux 2: tetrahydrofuran / 12 h / Reflux |